Basic information
- Standard SMILES
COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(-c2cnn3c2CCCC3)n1- InChIKey
WZZHMKJDGYSHIG-MRXNPFEDSA-N- Molecular formula
- C24H30N8O3
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.24408685
Names & identifiers
- Preferred name
- N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
- IUPAC
- N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
Names & synonyms
SCHEMBL14719118SCHEMBL31367935WZZHMKJDGYSHIG-MRXNPFEDSA-NN-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 71270213
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 723
Related reactions
2 records
Compound notes
Loading…